(2R)-6-[(4-methoxyphenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine

C20H27N3OS — CID 129475121

IUPAC(2R)-6-[(4-methoxyphenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
SMILESCOc1ccc(CN2CCC3(CC2)C[C@H]3N(C)Cc2nccs2)cc1
InChIInChI=1S/C20H27N3OS/c1-22(15-19-21-9-12-25-19)18-13-20(18)7-10-23(11-8-20)14-16-3-5-17(24-2)6-4-16/h3-6,9,12,18H,7-8,10-11,13-15H2,1-2H3/t18-/m1/s1
InChIKeyINBQAAXOVLIHCH-GOSISDBHSA-N
MW357.52 g/mol
LogP3.64
Rot. Bonds6

About (2R)-6-[(4-methoxyphenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine

(2R)-6-[(4-methoxyphenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine (PubChem CID 129475121) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is (2R)-6-[(4-methoxyphenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine.

Molecular Properties

Compound Name(2R)-6-[(4-methoxyphenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
PubChem CID129475121
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC Name(2R)-6-[(4-methoxyphenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
SMILESCOc1ccc(CN2CCC3(CC2)C[C@H]3N(C)Cc2nccs2)cc1
InChIInChI=1S/C20H27N3OS/c1-22(15-19-21-9-12-25-19)18-13-20(18)7-10-23(11-8-20)14-16-3-5-17(24-2)6-4-16/h3-6,9,12,18H,7-8,10-11,13-15H2,1-2H3/t18-/m1/s1
InChIKeyINBQAAXOVLIHCH-GOSISDBHSA-N
XLogP3.64
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-6-[(3-methoxyphenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
CID 129475932
(2S)-6-[(4-fluorophenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
CID 129474275
(2S)-N-methyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
CID 129473677
(2S)-N-methyl-6-(1H-pyrazol-5-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
CID 129474601
(2S)-6-(4-methoxypyrimidin-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
CID 129476502
3-[[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methyl]benzamide
CID 128970567
6-(1,3-benzodioxol-4-ylmethyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
CID 128994628
[(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-(3-methylthiophen-2-yl)methanone
CID 129476463
cyclopenten-1-yl-[(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone
CID 129351892
3-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]pyrazine-2-carbonitrile
CID 129477102
[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-pyrimidin-5-ylmethanone
CID 136533829
3,4-dihydro-2H-pyran-5-yl-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone
CID 129475730

Frequently Asked Questions

What is the IUPAC name of (2R)-6-[(4-methoxyphenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine?
The IUPAC name of (2R)-6-[(4-methoxyphenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine (CID 129475121) is (2R)-6-[(4-methoxyphenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine.
What is the SMILES notation for (2R)-6-[(4-methoxyphenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine?
The canonical SMILES for (2R)-6-[(4-methoxyphenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine is COc1ccc(CN2CCC3(CC2)C[C@H]3N(C)Cc2nccs2)cc1.
What is the InChIKey of (2R)-6-[(4-methoxyphenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine?
The InChIKey is INBQAAXOVLIHCH-GOSISDBHSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-22(15-19-21-9-12-25-19)18-13-20(18)7-10-23(11-8-20)14-16-3-5-17(24-2)6-4-16/h3-6,9,12,18H,7-8,10-11,13-15H2,1-2H3/t18-/m1/s1.
What are the key properties of (2R)-6-[(4-methoxyphenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine?
(2R)-6-[(4-methoxyphenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine has a molecular weight of 357.52 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-[(4-methoxyphenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine is sourced from PubChem (CID 129475121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).